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Home Other Building Blocks 5-Bromo-1,3-dimethylpyrimidine-2,4(1h,3h)-dione

5-Bromo-1,3-dimethylpyrimidine-2,4(1h,3h)-dione

CAS No.:
7033-39-8
Catalog Number:
AG00FBWA
Molecular Formula:
C6H7BrN2O2
Molecular Weight:
219.0360
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%
In Stock USA
United States
$126
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Product Description
Catalog Number:
AG00FBWA
Chemical Name:
5-Bromo-1,3-dimethylpyrimidine-2,4(1h,3h)-dione
CAS Number:
7033-39-8
Molecular Formula:
C6H7BrN2O2
Molecular Weight:
219.0360
MDL Number:
MFCD00191846
IUPAC Name:
5-bromo-1,3-dimethylpyrimidine-2,4-dione
InChI:
InChI=1S/C6H7BrN2O2/c1-8-3-4(7)5(10)9(2)6(8)11/h3H,1-2H3
InChI Key:
QITOSXPGCRFMDG-UHFFFAOYSA-N
SMILES:
O=c1n(C)cc(c(=O)n1C)Br
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.969g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.038g/mol
Monoisotopic Mass:
217.969g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties